BDBM506844 US11046652, Example 5-4

SMILES CC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCF

InChI Key InChIKey=NIDIDCRTIHMDKE-IEBWSBKVSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 506844   

TargetBotulinum neurotoxin type A [1-429](Clostridium botulinum (strain Hall / ATCC 3502 / N...)
Hawaii Biotech

US Patent
LigandPNGBDBM506844(US11046652, Example 5-4)
Affinity DataKi:  629nMAssay Description:In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent